Exchange–Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its Gradient
Peverati, Roberto, Truhlar, Donald G.Volume:
8
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct3002656
Date:
July, 2012
File:
PDF, 681 KB
english, 2012